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The Imidazo[1,5-a]pyridine-1-carboxylic acid (9CI), with CAS registry number 138891-51-7, belongs to the following product category: Glycinescaffold. It has the systematic name of imidazo[1,5-a]pyridine-1-carboxylic acid. Besides this, it is also called H-imidazo[1,5-a]pyridine-1-carboxylic acid. And the chemical formula of this chemical is C8H6N2O2.
Physical properties of Imidazo[1,5-a]pyridine-1-carboxylic acid (9CI): (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.6 Å2; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 43.026 cm3; (13)Molar Volume: 114.315 cm3; (14)Polarizability: 17.057×10-24cm3; (15)Surface Tension: 60.522 dyne/cm; (16)Density: 1.418 g/cm3.
Preparation: this chemical can be prepared by imidazo[1,5-a]pyridine-1-carboxylic acid ethyl ester. This reaction will need aq. NaOH and solvent ethanol. The reaction time is 1 hour(s). The yield is about 69%.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ncn2ccccc12
(2)InChI: InChI=1/C8H6N2O2/c11-8(12)7-6-3-1-2-4-10(6)5-9-7/h1-5H,(H,11,12)
(3)InChIKey: POWQZFXZDXTXIO-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C8H6N2O2/c11-8(12)7-6-3-1-2-4-10(6)5-9-7/h1-5H,(H,11,12)
(5)Std. InChIKey: POWQZFXZDXTXIO-UHFFFAOYSA-N